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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
NASA NTRS2002

Flutter Analysis of a Transonic Fan

This paper describes the calculation of flutter stability characteristics for a transonic forward swept fan configuration using a viscous aeroelastic analysis program. Unsteady Navier-Stokes equations are solved on a dynamically deforming, body fitted, grid to obtain the aeroelastic characteristics using the energy exchange method. The non-zero inter-blade phase angle is modeled using phase-lagged boundary conditions. Results obtained show good correlation with measurements. It is found that the location of shock and variation of shock strength strongly influenced stability. Also, outboard stations primarily contributed to stability characteristics. Results demonstrate that changes in blade shape impact the calculated aerodynamic damping, indicating importance of using accurate blade operating shape under centrifugal and steady aerodynamic loading for flutter prediction. It was found that the calculated aerodynamic damping was relatively insensitive to variation in natural frequency.

Srivastava, R.↗
DOE OSTI2022

Electronic structure of α - RuCl 3 by fixed-node and fixed-phase diffusion Monte Carlo methods

Layered material α-RuCl 3 has caught wide attention due to its possible realization of Kitaev's spin liquid and its electronic structure that involves the interplay of electron-electron correlations and spin-orbit effects. Several DFT+U studies have suggested that both electron-electron correlations and spin-orbit effects are crucial for accurately describing the band gap. This work studies the importance of these two effects using fixed-node and fixed-phase diffusion Monte Carlo calculations both in spin-averaged and explicit spin-orbit formalisms. In the latter, the Slater-Jastrow trial function is constructed from two-component spin orbitals using our recent quantum Monte Carlo (QMC) developments and thoroughly tested effective core potentials. Our results show that the gap in the ideal crystal is already accurately described by the spin-averaged case, with the dominant role being played by the magnetic ground state with significant exchange and electron correlation effects. We find qualitative agreement between hybrid DFT, DFT+U, and QMC. In addition, QMC results agree very well with available experiments, and we identify the values of exact Fock exchange mixing that provide comparable gaps. Explicit spin-orbit QMC calculations reveal that the effect of spin-orbit coupling on the gap is minor, of the order of 0.2 eV, which corresponds to the strength of the spin orbit of the Ru atom.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Interplay of surface energy and rheology in biopolymer soil enhancement

Biopolymers such as xanthan gum (XG) and locust bean gum (LBG) hold great potential as eco-friendly alternative soil binders. In this work, we investigated the impact of XG/LBG mixtures on the unconfined compressive strength (UCS) of sand. The high strength of dry biopolymer/sand arises from the cohesion between solid polymer films and sand particles which supported by work of adhesion calculation and soil mechanics measurement. LBG exhibits much lower sand reinforcement efficacy because polymers unevenly distributed within sand matrix. The formation of a core-shell structure in LBG/sand is an interplay of surface free energy and viscoelastic properties of polymer solutions. This structure is altered when LBG mixed with XG at varying ratios as those physical properties changed due to the complexity of polymer chains association. By probing these factors, we aim to elucidate the role of surface energies and polymer physics in governing the strength of the sand/polymer network, thereby contributing to a more comprehensive understanding polymer-sand interface. The low strength of gels (G’ ∼10Pa) cannot solely account for the increased UCS of wet sand over 10 kPa. Instead, the high strength of biopolymer/sand is more likely derived from the granular particles with biopolymers as solid glue.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Five-body systems with Bethe-Salpeter equations

We extend the Bethe-Salpeter formalism to systems made of five valence particles. Restricting ourselves to two-body interactions, we derive the subtraction terms necessary to prevent overcounting. We solve the five-body Bethe-Salpeter equation numerically for a system of five scalar particles interacting by a scalar exchange boson. To make the calculations tractable, we implement properties of the permutation group S 5 and construct an approximation based on intermediate two- and three-body poles. We extract the five-body ground and excited states along with the spectra obtained from the two-, three-, and four-body equations. In the limit of a massless exchange particle, the two-, three, four- and five-body states coexist within a certain range of the coupling strength, whereas for heavier exchange particles the five-body system becomes Borromean. Our study serves as a building block for the calculation of pentaquark properties using functional methods.

Eichmann, Gernot [Univ. of Graz (Austria)] (ORCID:↗
NASA NTRS2003

A Solar System Survey of Forced Librations in Longitude

Physical librations in longitude are forced periodic variations of a body's rotation rate. If the torque producing the librations can be calculated, then observations of the phase and amplitude of librations can provide information on mass distribution, and effective strength of the body. In the near future prospects for observing physical librations look quite promising. Radio interferometric observations of Venus and Mercury may yield sufficiently accurate rotational observations that librations there may be visible. Range measurements from Earth to networks of landed instrument packages on Mars are likely to yield librational data there as well. We compute expected libration amplitudes from physical and orbital parameters of a set of planets and satellites partially motivated by a desire to identify candidates for future observations. Solar system bodies occupy one of three general rotation states: non-resonant states, resonant states, and the synchronous resonant state. Analytical treatments of forced librations were initially motivated by the Moon. Lunar librations were predicted by Newton, first detected telescopically by Bessel, and definitively resolved through lunar laser ranging which has led to quite thorough analysis of of librations for the synchronous case. The synchronous resonant state is commonly observed among satellites. The only known body to exist in a non-synchronous resonance is Mercury which exists in a 3:2 resonance, completing three rotations for every two revolutions about the sun. The analysis of Goldreich and Peale has lead to improved understanding of the general case of half integer resonance states. The dynamics of forced librations in non-resonant rotators has received less attention. While there are few cases in which non-resonant forced librations have been observed, Earth is an important exception, and current observing techniques may have the capacity to detect them on Venus. A comprehensive observing program spanning a range of solar system bodies can address an array of geophysical issues involving interior mass distribution of planets, satellites, and asteroids. Calculations of expected librations can supply amplitude estimates helpful in identifying the likelihood of detecting librations observationally. We present a survey of expected libration amplitudes for a subset of solar system bodies, identifying those bodies with amplitudes likely to be detectable, and commenting on spin state, and radial structure implications.

Comstock, R. L.↗
DOE OSTI2023

A search for heavy Higgs bosons decaying into vector bosons in same-sign two-lepton final states in $pp$ collisions at $\sqrt{s}$ = 13 TeV with the ATLAS detector

A search for heavy Higgs bosons produced in association with a vector boson and decaying into a pair of vector bosons is performed in final states with two leptons (electrons or muons) of the same electric charge, missing transverse momentum and jets. A data sample of proton–proton collisions at a centre-of-mass energy of 13 TeV recorded with the ATLAS detector at the Large Hadron Collider between 2015 and 2018 is used. The data correspond to a total integrated luminosity of 139 fb –1 . The observed data are in agreement with Standard Model background expectations. The results are interpreted using higher-dimensional operators in an effective field theory. Upper limits on the production cross-section are calculated at 95% confidence level as a function of the heavy Higgs boson’s mass and coupling strengths to vector bosons. Limits are set in the Higgs boson mass range from 300 to 1500 GeV, and depend on the assumed couplings. The highest excluded mass for a heavy Higgs boson with the coupling combinations explored is 900 GeV. Limits on coupling strengths are also provided.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Is solid copper oxalate a spin chain or a mixture of entangled spin pairs?

Macroscopic assemblies of interacting spins give rise to a broad spectrum of behaviors determined by the spatial arrangement of the magnetic sites and the electronic interactions between them. Compounds of copper (II), in which each copper carries spin 1/2, exhibit a vast variety of physical properties. For antiferromagnetically coupled spin sites, there are two limiting scenarios: spin chains in which the spins can exhibit a long-range order or a mixture of dimers in which the spins within each pair are entangled but do not communicate with the spins from other dimers. In principle, the two types can be distinguished on the basis of experimental observations and modeling using empirically parameterized effective Hamiltonians, but in practice, ambiguity may persist for decades, as is the case for copper oxalate. Here we use high-level ab initio calculations to establish the validity of the nearest-site Heisenberg model and to predict the interaction strength between the magnetic sites. Finally, the computed magnetic susceptibility provides an unambiguous interpretation of magnetic experiments performed throughout half a century, clearly supporting the infinite spin-chain behavior of solid copper oxalate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Insights into the Interaction of Redox Active Organic Molecules and Solvents with the Pristine and Defective Graphene Surfaces from Density Functional Theory

A systematic study is reported on the interaction of two representative redox active organic molecules and two solvent molecules with pristine and defective graphene surfaces as a model of an electrode surface of a redox flow battery (RFB). The redox active molecules include a catholyte, 2,5-di-tert-butyl-1,4-dimethoxybenzene (DDB), and an anolyte molecule, benzothiadiazole (BTZ), and the solvent molecules include acetonitrile (MeCN) and ethylene carbonate (EC). The graphene defects investigated include a single vacancy, double vacancy, zigzag step edge, and armchair step edge. Computations suggest that the interactions of all molecules with a pristine graphene surface are relatively weak (0.2 to 0.8 eV) and dominated by van der Waals effects; therefore, these molecules are chemically stable upon interacting with pristine nondefective graphene. The BTZ, DDB, MeCN, and EC molecules interact strongly (1.5 to 5.5 eV) with the single vacancy and zigzag step edges of graphene that leads to the possible decomposition of the molecules with strength of interaction in the order of MeCN > BTZ > DDB > EC and MeCN > EC > BTZ > DDB, respectively. Calculations show that the BTZ, DDB, MeCN, and EC molecules interact less strongly (0.2 to 1.4 eV) to the double vacancy and armchair step edge than to the single vacancy and zigzag step edge. The binding energies of the molecules were significantly reduced when interacting with the passivated defects, suggesting that the passivation of the defects could help prevent unwanted chemical interactions between the neutral molecules and the electrode surface. In all organic RFBs, one of the crucial bottlenecks is the stability of the constituent molecules with the electrode material, and this study provides insights into the chemical interaction of selected candidate species with a model carbon electrode.

Howard, Jason D.↗
DOE OSTI2020

Nonclassical Behavior in Competitive Ion Adsorption at a Charged Solid–Water Interface

Ion adsorption at solid-water interfaces is commonly described by interactions between specific surface sites and adsorbed ions in classical models. However, energetic contributions from non-site-specific ion-ion interactions have not been explored systematically. Here, we report non-classical behaviors observed during competitive adsorption between Sr 2+ and Na + /Rb + at the negatively-charged muscovite mica (001)-water interface, revealing apparent controls of adsorbed ion speciation over the interfacial reactivity. In the absence of competing cations, Sr 2+ adsorbs in approximately equivalent proportions of inner-sphere and outer-sphere complexes, whereas it adsorbs predominantly as an outer-sphere complex in the presence of Na + /Rb + . This transformation of adsorbed Sr 2+ speciation significantly decreases its adsorption strength, as indicated by ~15-fold shift in the Sr 2+ adsorption edge concentration, compared to that calculated from a classical Langmuir isotherm model developed based on site-specific interactions. Finally, these observations highlight the importance of non-site-specific interactions in controlling the energetics of chemical reactions at the charged interface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Resonant control of photoelectron directionality by interfering one- and two-photon pathways

Coherent control of interfering one- and two-photon processes has for decades been the subject of research to achieve the redirection of photocurrent. The present study develops two-pathway coherent control of ground-state helium atom above-threshold photoionization for energies up to the N = 2 threshold, based on a multichannel quantum defect and R-matrix calculation. Three parameters are controlled in our treatment: the optical interference phase ΔΦ, the reduced electric field strength χ = $\mathscr{E}^2_ω$$\mathscr{E}_{2ω}$, and the final state energy ε. A small energy change near a resonance is shown to flip the emission direction of photoelectrons with high efficiency, through an example where 90% of photoelectrons whose energy is near the 2p 2 1 S e resonance flip their emission direction. However, the large fraction of photoelectrons ionized at the intermediate state energy, which are not influenced by the optical control, make this control scheme challenging to realize experimentally.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Quantum spin ice response to a magnetic field in the dipole-octupole pyrochlore Ce 2 Zr 2 O 7

The pyrochlore magnet Ce 2 Zr 2 O 7 has attracted much attention as a quantum spin ice candidate whose novelty derives in part from the dipolar-octupolar nature of the Ce 3+ pseudospin-1/2 degrees of freedom it possesses. We report heat capacity measurements on single crystal samples of Ce 2 Zr 2 O 7 down to T~0.1K in a magnetic field along the [$1,\bar{1},0$] direction. These measurements show that the broad hump in the zero-field heat capacity moves higher in temperature with increasing field strength and is split into two separate humps by the [$1,\bar{1},0$] magnetic field at ~2T. These separate features are due to the decomposition of the pyrochlore lattice into effectively decoupled chains for fields in this direction: One set of chains (α chains) is polarized by the field while the other (β chains) remains free. This situation is similar to that observed in the classical spin ices Ho 2 Ti 2 O 7 and Dy 2 Ti 2 O 7 , but with the twist that here the strong transverse exchange interactions produce substantial quantum effects. Our theoretical modeling suggests that the β chains are close to a critical state, with nearly-gapless excitations. We also report elastic and inelastic neutron scattering measurements on single crystal Ce 2 Zr 2 O 7 in [$1,\bar{1},0$] and [0,0,1] magnetic fields at temperatures down to T=0.03K. The elastic scattering behaves consistently with the formation of independent chains for a [$1,\bar{1},0$] field, while the [0,0,1] field produces a single field-induced elastic magnetic Bragg peak at (0,2,0) and equivalent wavevectors, indicating a polarized spin ice state for fields above ~3T. For both [$1,\bar{1},0$] and [0,0,1] magnetic fields, our inelastic neutron scattering results show an approximately dispersionless continuum of scattering that increases in both energy and intensity with increasing field strength. By modeling the complete set of experimental data using numerical linked cluster and semiclassical molecular dynamics calculations, we demonstrate the dominantly multipolar nature of the exchange interactions in Ce 2 Zr 2 O 7 and the smallness of the parameter θ, which controls the mixing between dipolar and octupolar degrees of freedom. Finally, these results support previous estimates of the microscopic exchange parameters and place strong constraints on the theoretical description of this prominent spin ice candidate.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Nuclear level density and γ -ray strength function of Ni 67 and the impact on the i process

Proton- γ coincidences from ( d , p ) reactions between a Ni 66 beam and a deuterated polyethylene target have been analyzed with the inverse-Oslo method to find the nuclear level density (NLD) and γ -ray strength function ( γ SF ) of Ni 67 . The Ni 66 ( n , γ ) capture cross section has been calculated using the Hauser-Feshbach model in using the measured NLD and γ SF as constraints. The results confirm that the Ni 66 ( n , γ ) reaction acts as a bottleneck when relying on one-zone nucleosynthesis calculations. However, the impact of this reaction is strongly dampened in multizone models of low-metallicity AGB stars experiencing i -process nucleosynthesis. Published by the American Physical Society 2025

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1985

Collisional history of asteroids - Evidence from Vesta and the Hirayama families

Numerical simulations of the collisional evolution of hypothetical initial asteroid populations have been run which are subject to three constraints: they must evolve to the current asteroid size distribution, preserve Vesta's basaltic crust, and produce at least the observed number of major Hirayama families. A 'runaway growth' initial asteroid population distribution is found to best satisfy these constraints, and a model is developed for the calculation of fragment size distribution in the disruption of large, gravitationally bound bodies in which the material strength is enhanced by hydrostatic self-compression. This model predicts that large asteroids behave as intrinsically strong bodies despite histories of collisional fracture.

Davis, D. R.↗
NASA NTRS1988

The GISS global climate-middle atmosphere model. I - Model structure and climatology

A coupled global climate/middle atmosphere model (GCMAM) is developed by extending the Hansen et al. (1983) GISS global climate model to include the middle atmosphere up to 85 km. The model includes numerical solutions of the primitive equations, calculations of the radiative and surface fluxes, and a complete hydrologic cycle with convective and cloud-cover parameterizations. In addition, a parameterized gravity wave drag cycle is incorporated, in which gravity-wave momentum fluxes due to flow over topography, wind shear, and convection are calculated at each grid box, using theoretical relationships between the grid-scale variables and expected source strengths. The results of the GCMAM demonstrate that the model produces a reasonable simulation of the stratosphere. It is shown that the improvements over the previous version were achieved largely through the incorporation of the parameterized gravity wave drag.

Rind, D.↗
NASA NTRS1989

The interface in tungsten fiber reinforced niobium metal-matrix composites

The creep resistance of tungsten fiber reinforced niobium metal-matrix composites was evaluated. The interface region between the fiber and matrix was characterized by microhardness and electron probe microanalysis measurements which indicated that its properties were between those of fiber and matrix. However, the measured properties of the composite exceeded those calculated by the rule of mixtures even when the interface zone was assumed to retain all the strength of the fiber. The composite structure appeared to enhance the strengths of both the fibers and the matrix above what they exhibited in stand-alone tests. The effect of fiber orientation and matrix alloy composition on the fiber/matrix interface were also evaluated. Small alloying additions of zirconium and tungsten to the niobium matrix affected the creep resistance of the composites only slightly. A decrease in the creep resistance of the composite with increasing zirconium content in the matrix was ascribed to an increase in the diffusion rate of the fiber/matrix interdiffusion reaction, and a slight increase in the creep resistance of the composite was observed with an addition of 9 w percent tungsten to the matrix. In addition, Kirkendall void formation was observed at the fiber/matrix interface; the void distribution differed depending on the fiber orientation relative to the stress axis.

Grobstein, Toni L.↗
NASA NTRS1990

Observations of potassium in the tenuous lunar atmosphere

Observations of neutral potassium (K) in the tenuous lunar atmosphere are described. An echelle spectrograph, CCD, and data acquisition system are used to obtain emission spectra of neutral K atoms in the lunar atmosphere as observed by the 1.54 telescope at the Catalina Observatory at first quarter the night of April 29, 1989. A table of relevant lunar atmosphere parameters summarizes the results of the investigation. It is found that the number density at the surface is 9.5 + or - 1 atoms per cu cm and that there is a large nonthermal component and a deficiency of atoms equilibrated to the surface temperature. The calculated thermalization rate of the nonthermal component through encounters with the lunar surface gives a source of strength for the thermal component factor of 7 greater than loss by photoionization. Possible explanations for the low thermalized population observed are considered.

Kozlowski, Richard W. H.↗
NASA NTRS1992

Distant magnetotails of the outer magnetic planets

The distant planetary magnetotails of Jupiter, Saturn, Uranus, and Neptune are assumed to be partially open, hot, long plasma cavities generally in pressure equilibrium with the solar wind. Most of the magnetosheath magnetic field lines drape around the magnetotails. Conservation of momentum density, magnetic field, plasma density, and energy density fluxes are invoked at the tail boundaries to determine the shape of the magnetotails and the variations of plasma and magnetic field characteristics with distance down the magnetotail. Voyager observations are used to initialize calculations in the near-planet portions of each magnetotail. Estimates of magnetotail cross sections, magnetic field strengths, and plasma densities are described as a function of downstream distance. The model accurately predicts properties of the Jovian magnetotail at least as far as Saturn's orbit.

Macek, W. M.↗
NASA NTRS1992

Indentability of conventional and negative Poisson's ratio foams

The indentation resistance of foams, both of conventional structure and of re-entrant structure giving rise to negative Poisson's ratio, is studied using holographic interferometry. In holographic indentation tests, re-entrant foams had higher yield strengths sigma(sub y) and lower stiffness E than conventional foams of the same original relative density. Calculated energy absorption for dynamic impact is considerably higher for re-entrant foam than conventional foam.

Lakes, R. S.↗